methyl 2-[5-(2-azanylethyl)-2-fluoranyl-phenyl]sulfanyl-2-methyl-propanoate

Systemtic Name: methyl 2-[5-(2-azanylethyl)-2-fluoranyl-phenyl]sulfanyl-2-methyl-propanoate Openeye Name: methyl 2-[5-(2-aminoethyl)-2-fluoro-phenyl]sulfanyl-2-methyl-propanoate CAS Name: 2-[[5-(2-aminoethyl)-2-fluorophenyl]thio]-2-methylpropanoic acid methyl ester IUPAC Name: methyl 2-[5-(2-aminoethyl)-2-fluorophenyl]sulfanyl-2-methylpropanoate Traditional Name: 2-[[5-(2-aminoethyl)-2-fluoro-phenyl]thio]-2-methyl-propionic acid methyl ester Formula: C13H18FNO2S MolecularWeight: 271.350923

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)OC)SC1=C(C=CC(=C1)CCN)F

Isomeric SMILES

CC(C)(C(=O)OC)SC1=C(C=CC(=C1)CCN)F

InChI

InChI=1S/C13H18FNO2S/c1-13(2,12(16)17-3)18-11-8-9(6-7-15)4-5-10(11)14/h4-5,8H,6-7,15H2,1-3H3